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Receptor
PDB id Resolution Class Description Source Keywords
4EE7 1.67 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF THE NOVEL PHENAZINE PRENYLTRANSFERASE E COMPLEX WITH S-THIOLODIPHOSPHATE (METHYLATED) STREPTOMYCES CINNAMONENSIS PT FOLD DIHYDROPHENAZINE CARBOXYLATE PRENYLTRANSFERASE TRA
Ref.: STRUCTURE-BASED ENGINEERING INCREASED THE CATALYTIC RATE OF A NOVEL PHENAZINE PRENYLTRANSFERASE. PLOS ONE V. 7 48427 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:406;
Invalid;
none;
submit data
35.453 Cl [Cl-]
PG4 A:402;
A:403;
B:401;
B:402;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
194.226 C8 H18 O5 C(COC...
PIS A:401;
Valid;
none;
submit data
193.033 H3 O6 P2 S OP(=O...
SO4 A:404;
A:405;
B:403;
B:404;
B:405;
B:406;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4EE7 1.67 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF THE NOVEL PHENAZINE PRENYLTRANSFERASE E COMPLEX WITH S-THIOLODIPHOSPHATE (METHYLATED) STREPTOMYCES CINNAMONENSIS PT FOLD DIHYDROPHENAZINE CARBOXYLATE PRENYLTRANSFERASE TRA
Ref.: STRUCTURE-BASED ENGINEERING INCREASED THE CATALYTIC RATE OF A NOVEL PHENAZINE PRENYLTRANSFERASE. PLOS ONE V. 7 48427 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 269 families.
1 4EE7 - PIS H3 O6 P2 S OP(=O)(O)O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 237 families.
1 4EE7 - PIS H3 O6 P2 S OP(=O)(O)O....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 4EE7 - PIS H3 O6 P2 S OP(=O)(O)O....
2 1ZDW - GST C10 H20 O6 P2 S CC(=CCCC(=....
3 1ZCW - GPP C10 H20 O7 P2 CC(=CCC/C(....
4 1ZB6 - GST C10 H20 O6 P2 S CC(=CCCC(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PIS; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 PIS 1 1
2 PPV 0.642857 0.84
3 3PO 0.5 0.84
4 6YW 0.45 0.84
5 PPK 0.409091 0.617647
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4EE7; Ligand: PIS; Similar sites found with APoc: 186
This union binding pocket(no: 1) in the query (biounit: 4ee7.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 3STK PLM None
2 5FPX GLY SER SER HIS HIS HIS HIS HIS None
3 3GM5 CIT None
4 3MHA Z69 None
5 3AMN CBI 1.13208
6 3AMN CBK 1.13208
7 3OJI PYV 1.5873
8 1M0W ANP 1.64474
9 2CJ9 SSA 1.64474
10 5OES ADP 1.64474
11 5H5A 6OU 1.66667
12 4YBN FAD 1.78571
13 2A1L PCW 1.85185
14 3H5N ATP 1.97368
15 6FFL GLC GLC GLC 1.97368
16 6C1S EFV 1.97368
17 5MU6 MYA 1.97368
18 5MU6 KFK 1.97368
19 2ZHL NAG GAL GAL NAG 2.02703
20 1Y0G 8PP 2.09424
21 2R5V HHH 2.30263
22 5F3I 5UJ 2.30263
23 4MP8 MLI 2.30263
24 4MP8 NAD 2.30263
25 3RGA LSB 2.4735
26 2WPU KYT 2.51572
27 4Y24 TD2 2.5974
28 2IGA XX2 2.63158
29 1F1V DHY 2.63158
30 2IGA XX3 2.63158
31 5LRT ADP 2.63158
32 2GVJ DGB 2.63158
33 2Q0D ATP 2.63158
34 5GG9 8GT 2.63158
35 3MTX PGT 2.64901
36 1KW6 BPY 2.73973
37 5UR6 8KM 2.76243
38 2A4W BLM 2.89855
39 1ST0 GTG 2.96053
40 4BVA T3 2.96053
41 4IRL MTT 2.96053
42 3BL7 DD1 2.99003
43 5J75 6GQ 3.0303
44 4H6B 10Y 3.07692
45 4BX7 B4F 3.125
46 2F01 BTN 3.14961
47 2F01 BTQ 3.14961
48 4MLO PAM 3.26087
49 5MZI FYK 3.28947
50 5MZI FAD 3.28947
51 1J39 UPG 3.28947
52 1SDW IYT 3.28947
53 5AE2 FYC 3.28947
54 4K3H 1OM 3.38983
55 3X00 ZOF ZOF EDN 3.40136
56 3X00 ZOF EDN ZOF 3.40136
57 4WUP 3UF 3.46154
58 1NV8 MEQ 3.52113
59 5BQS 4VN 3.61842
60 3I4X DST 3.61842
61 5N87 N66 3.61842
62 4LA7 A1O 3.62694
63 3KFF ZBT 3.7037
64 3KFF XBT 3.7037
65 3GZ8 APR 3.7037
66 1MEX RAC 3.75587
67 3FW4 CAQ 3.93258
68 4J36 1HR 3.94737
69 4J36 FAD 3.94737
70 3PGU OLA 3.94737
71 5A3T MMK 3.94737
72 1XLI GLT 3.94737
73 2YKL NLD 4.24528
74 2AG4 LP3 4.26829
75 1VA6 P2S 4.27632
76 1VA6 ADP 4.27632
77 3JRS A8S 4.32692
78 5BU3 4W9 4.34783
79 4JNJ BTN 4.34783
80 1N5S ADL 4.46429
81 1Q23 FUA 4.56621
82 4YLZ LAT NAG GAL 4.57516
83 5DQ8 FLF 4.58333
84 2WA4 069 4.60526
85 1ODM ASV 4.60526
86 5D48 L96 4.60526
87 2GPT TLA 4.78011
88 3VHH VHH 4.87805
89 2NSX IFM 4.93421
90 5FI4 5XV 4.95356
91 2V7T SAH 5.01672
92 1MJJ HAL 5.02283
93 1MH5 HAL 5.02283
94 5T2Z 017 5.05051
95 4JH6 FCN 5.07246
96 3M3R BCD 5.11945
97 4BVM PLM 5.26316
98 4QCK ASD 5.26316
99 5NW7 9C2 5.26316
100 1LFO OLA 5.46875
101 4TW7 37K 5.46875
102 1Y52 BTN 5.55556
103 3ZGJ RMN 5.59211
104 3VQ2 LP4 LP5 MYR DAO 5.59211
105 2XIQ MLC 5.59211
106 4BCS BTN 5.6
107 5N2F 8HW 5.64516
108 4X6F 3XU 5.71429
109 2UX9 FMN 5.7971
110 2OJW ADP 5.92105
111 6E08 NAP 5.92105
112 6EOZ 58K 5.92105
113 6EOZ AKG 5.92105
114 1YKJ PHB 5.92105
115 1NKI PPF 5.92593
116 1ZT1 PHE GLU ALA ASN GLY ASN LEU ILE 6
117 3DBX PLM 6.06061
118 5FKP 6UL 6.06061
119 3QUZ QUV 6.06061
120 3SCM LGN 6.06061
121 1LEK GLU GLN TYR LYS PHE TYR SER VAL 6.06061
122 3HUJ AGH 6.06061
123 1D5Z ACE ALC ARG ALA ODA SER LEU NH2 6.07735
124 1FDQ HXA 6.10687
125 4F7E 0SH 6.12245
126 3L9R L9R 6.12245
127 5U98 1KX 6.13718
128 3WG3 A2G GAL NAG FUC 6.17978
129 3T7V MD0 6.25
130 2BW7 ECS 6.39269
131 2X34 UQ8 6.62983
132 5HZ9 5M8 6.66667
133 3N0Y APC 6.70391
134 2NNQ T4B 6.87023
135 2HZQ STR 6.89655
136 5AE9 OKO 6.90789
137 4HDH ATP 6.90789
138 1MFD GLA MMA ABE 6.97674
139 5T7I LAT NAG GAL 7.09677
140 1UMZ BGC BGC XYS BGC XYS GAL 7.19424
141 5ZM4 9FU 7.23684
142 5ZM4 AKG 7.23684
143 5OO5 UUA 7.25806
144 5HZ5 65X 7.46269
145 1KQW RTL 7.46269
146 1IIU RTL 7.47126
147 4MNS 2AX 7.54717
148 4ZU5 THM 7.63889
149 5GM5 CBI 7.72727
150 1I82 BGC BGC 7.93651
151 5JSP DQY 7.9602
152 1OPB RET 8.20895
153 4QYN RTL 8.27068
154 5A65 TPP 8.29493
155 5OX6 A1Z 8.33333
156 1LGT BP3 8.41751
157 5NBW 8SK 8.8785
158 4WO4 JLS 8.97959
159 4HK8 XYP XYP XYP XYP XYP XYP 8.99471
160 5JHD GLY ILE LEU GLY PHE VAL PHE THR LEU 9.09091
161 3RUG DB6 9.12863
162 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 9.18367
163 1EWJ BLM 9.52381
164 1REQ DCA 9.53947
165 5NH6 XYL 9.53947
166 2GLX NDP 9.53947
167 2Z77 HE7 10.0719
168 3AGC RCC 10.1449
169 2YJ0 420 10.1449
170 3CQO FUC 10.2389
171 5Z54 0HZ 11.0132
172 5A89 FMN 11.5385
173 5A89 ADP 11.5385
174 4O9S 2RY 11.6279
175 2P7Q GG6 12.0301
176 2IFB PLM 12.2137
177 2GJ5 VD3 12.3457
178 3LVW GSH 13.1579
179 1ERB ETR 13.6612
180 2QM9 TDZ 14.1935
181 1ELJ GLC GLC GLC 14.4737
182 2YVE MBT 17.8378
183 6HDT BTN 18.0451
184 3T2W BTN 22.1311
185 5Z46 8XL 39.4737
186 5Z46 GST 39.4737
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